N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide

C26H33N3O4 — CID 23797083

IUPACN-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2CN(C(=O)C2CC2)C2CCCCC2N)cc1OC
InChIInChI=1S/C26H33N3O4/c1-32-23-14-13-18(15-24(23)33-2)25(30)28-21-9-5-3-7-19(21)16-29(26(31)17-11-12-17)22-10-6-4-8-20(22)27/h3,5,7,9,13-15,17,20,22H,4,6,8,10-12,16,27H2,1-2H3,(H,28,30)
InChIKeyIVYNWCUHEJPYBL-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.96
Rot. Bonds8

About N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide

N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 23797083) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
PubChem CID23797083
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2CN(C(=O)C2CC2)C2CCCCC2N)cc1OC
InChIInChI=1S/C26H33N3O4/c1-32-23-14-13-18(15-24(23)33-2)25(30)28-21-9-5-3-7-19(21)16-29(26(31)17-11-12-17)22-10-6-4-8-20(22)27/h3,5,7,9,13-15,17,20,22H,4,6,8,10-12,16,27H2,1-2H3,(H,28,30)
InChIKeyIVYNWCUHEJPYBL-UHFFFAOYSA-N
XLogP3.96
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide
CID 23992132
N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide
CID 23768544
N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide
CID 23960191
2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
CID 119218458
N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide
CID 47037283
1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642413
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 8872324
N-(2-ethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600914
N-(2-ethylphenyl)-3-methoxy-4-methylbenzamide
CID 16620352
N-(2-benzylphenyl)-3-methoxy-4-propoxybenzamide
CID 2461218
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8839347

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide (CID 23797083) is N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccccc2CN(C(=O)C2CC2)C2CCCCC2N)cc1OC.
What is the InChIKey of N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is IVYNWCUHEJPYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-32-23-14-13-18(15-24(23)33-2)25(30)28-21-9-5-3-7-19(21)16-29(26(31)17-11-12-17)22-10-6-4-8-20(22)27/h3,5,7,9,13-15,17,20,22H,4,6,8,10-12,16,27H2,1-2H3,(H,28,30).
What are the key properties of N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide?
N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 451.57 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 23797083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).